SCHEMBL25867132

SCHEMBL25867132

CC1(C)c2ccccc2Oc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cccc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25858855 0.93 CHRNA1 (0.35) DRD1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25858407 0.93 ENPP3 (0.31) DRD1ENPP3ENPP1
SCHEMBL25850540 0.93 ENPP3 (0.32) DRD1ENPP3ENPP1
SCHEMBL25867130 0.93 ENPP3 (0.32) DRD1ENPP3ENPP1
SCHEMBL25865679 0.91 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25867211 0.90 CHRNA1 (0.33) DRD1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25863677 0.90 KIF11 (0.30)
SCHEMBL25867014 0.89 DRD1 (0.33) DRD1
SCHEMBL25867482 0.89
SCHEMBL25867213 0.88 ENPP3 (0.33) DRD1ENPP3ENPP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed